Detailed information for compound 211482

Basic information

Technical information
  • TDR Targets ID: 211482
  • Name: (3R,4S)-1-(4-acetylphenyl)-4-(4-methoxyphenyl )-3-(3-phenylpropyl)azetidin-2-one
  • MW: 413.508 | Formula: C27H27NO3
  • H donors: 0 H acceptors: 2 LogP: 5.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)[C@@H]1[C@@H](CCCc2ccccc2)C(=O)N1c1ccc(cc1)C(=O)C
  • InChi: 1S/C27H27NO3/c1-19(29)21-11-15-23(16-12-21)28-26(22-13-17-24(31-2)18-14-22)25(27(28)30)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-18,25-26H,6,9-10H2,1-2H3/t25-,26-/m1/s1
  • InChiKey: UCGBGPHKTKDPKM-CLJLJLNGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3R,4S)-1-(4-acetylphenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone
  • (3R,4S)-1-(4-ethanoylphenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0032 0 0.5
Mycobacterium ulcerans 6-phosphofructokinase 0.0117 0.119 0.5
Onchocerca volvulus 0.0131 0.1391 1
Brugia malayi hypothetical protein 0.0131 0.1391 0.8116
Echinococcus multilocularis 6 phosphofructokinase 0.0117 0.119 0.8282
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0117 0.119 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0131 0.1391 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0032 0 0.5
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0 0.5
Brugia malayi phosphofructokinase 0.0117 0.119 0.6721
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0 0.5
Echinococcus granulosus apoptotic protease activating factor 1 0.0131 0.1391 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.119 0.5
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0 0.5
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.119 1
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.119 0.8282
Loa Loa (eye worm) hypothetical protein 0.012 0.1243 0.7085
Loa Loa (eye worm) hypothetical protein 0.0131 0.1391 0.8116
Echinococcus granulosus 6 phosphofructokinase 0.0117 0.119 0.8282
Brugia malayi Cell death protein 3 precursor 0.0131 0.1391 0.8116
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.119 0.6721
Loa Loa (eye worm) hypothetical protein 0.012 0.1243 0.7085
Brugia malayi 6-phosphofructokinase 0.0117 0.119 0.6721
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0996 0.5371
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.119 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1391 0.8116
Loa Loa (eye worm) hypothetical protein 0.0103 0.0996 0.5371
Loa Loa (eye worm) hypothetical protein 0.015 0.1662 1
Schistosoma mansoni hypothetical protein 0.0103 0.0996 0.6619
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0117 0.119 0.5
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0117 0.119 1
Loa Loa (eye worm) phosphofructokinase 0.0117 0.119 0.6721
Brugia malayi hypothetical protein 0.012 0.1243 0.7085
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.119 1
Schistosoma mansoni hypothetical protein 0.0104 0.1007 0.6707
Brugia malayi 6-phosphofructokinase 0.0117 0.119 0.6721
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.119 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.1662 1
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.119 1
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.119 0.8282
Trypanosoma brucei pteridine reductase 1 0.0635 0.8435 1
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.119 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.1662 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.1662 1
Leishmania major pteridine reductase 1 0.0635 0.8435 1
Schistosoma mansoni hypothetical protein 0.0131 0.1391 1
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.119 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.119 0.6721
Echinococcus multilocularis apoptotic protease activating factor 1 0.0131 0.1391 1
Echinococcus multilocularis caspase 2 0.0131 0.1391 1
Schistosoma mansoni caspase-7 (C14 family) 0.0131 0.1391 1
Echinococcus granulosus caspase 2 0.0131 0.1391 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0032 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -90 % In vivo for cholesterol absorption inhibitory activity using 7-day cholesterol-fed hamster model (expressed as percent change in cholesteryl esters at 50 mg/kg/day) ChEMBL. 8809157
Change (functional) = -40 % In vivo cholesterol absorption inhibitory activity using 7-day cholesterol-fed hamster model (expressed as percent change in serum cholesterol at 50 mg/kg/day) ChEMBL. 8809157

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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